2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol

C15H14Br2O — CID 154609906

IUPAC2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol
SMILESCc1cc(C)c(-c2cc(Br)c(O)c(Br)c2)c(C)c1
InChIInChI=1S/C15H14Br2O/c1-8-4-9(2)14(10(3)5-8)11-6-12(16)15(18)13(17)7-11/h4-7,18H,1-3H3
InChIKeyIQZJFBPHAFIXCC-UHFFFAOYSA-N
MW370.08 g/mol
LogP5.51
Rot. Bonds1

About 2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol

2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol (PubChem CID 154609906) has the molecular formula C15H14Br2O and a molecular weight of 370.08 g/mol. Its IUPAC name is 2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol.

Molecular Properties

Compound Name2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol
PubChem CID154609906
Molecular FormulaC15H14Br2O
Molecular Weight370.08 g/mol
Exact Mass367.94
IUPAC Name2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol
SMILESCc1cc(C)c(-c2cc(Br)c(O)c(Br)c2)c(C)c1
InChIInChI=1S/C15H14Br2O/c1-8-4-9(2)14(10(3)5-8)11-6-12(16)15(18)13(17)7-11/h4-7,18H,1-3H3
InChIKeyIQZJFBPHAFIXCC-UHFFFAOYSA-N
XLogP5.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.08
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol?
The IUPAC name of 2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol (CID 154609906) is 2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol.
What is the SMILES notation for 2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol?
The canonical SMILES for 2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol is Cc1cc(C)c(-c2cc(Br)c(O)c(Br)c2)c(C)c1.
What is the InChIKey of 2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol?
The InChIKey is IQZJFBPHAFIXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O/c1-8-4-9(2)14(10(3)5-8)11-6-12(16)15(18)13(17)7-11/h4-7,18H,1-3H3.
What are the key properties of 2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol?
2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol has a molecular weight of 370.08 g/mol, XLogP of 5.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol is sourced from PubChem (CID 154609906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).